SCHEMBL6917552

SCHEMBL6917552

CNc1ccc(C2CN(C(=O)OC(C)(C)C)CCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4B Q07343 2/20 0.41
EPHA2 P29317 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
RECQL P46063 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25489259 0.87 NAMPT (0.43) NAMPTPTPN2PTPN1PTPN6USP2
SCHEMBL323889 0.86 USP2 (0.46) NAMPTPTPN2PTPN1PTPN6USP2
SCHEMBL497161 0.86 USP2 (0.46) NAMPTPTPN2PTPN1PTPN6USP2
SCHEMBL12609593 0.86 MEN1 (0.44) NAMPTPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL12609595 0.86 MEN1 (0.44) NAMPTPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL15109717 0.86 KMT2A (0.46) NAMPTUSP2SMN1; SMN2ALDH1A1NPC1
SCHEMBL15109716 0.86 KMT2A (0.46) NAMPTUSP2SMN1; SMN2ALDH1A1NPC1
SCHEMBL31385973 0.86 KMT2A (0.46) NAMPTUSP2SMN1; SMN2ALDH1A1NPC1
SCHEMBL503546 0.85 NR1H2 (0.45) NAMPTUSP2SMN1; SMN2ALDH1A1NPC1
SCHEMBL503547 0.85 NR1H2 (0.45) NAMPTUSP2SMN1; SMN2ALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885PTPN2 2000/4885PTPN1 2282/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885PTPN2 2000/4885PTPN1 2282/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NAMPT 1606/4885PTPN2 2000/4885PTPN1 2282/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NAMPT 1606/4885PTPN2 2000/4885PTPN1 2282/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.